(2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

C22H29F3N6O2 — CID 100850779

About (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 100850779) has the molecular formula C22H29F3N6O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
• PubChem CID: 100850779
• Molecular Formula: C22H29F3N6O2
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.23
• IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
• SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C22H29F3N6O2/c1-14(20(32)27-21(33)26-17-7-3-2-4-8-17)30-11-5-6-15(12-30)19-29-28-18-10-9-16(13-31(18)19)22(23,24)25/h9-10,13-15,17H,2-8,11-12H2,1H3,(H2,26,27,32,33)/t14-,15-/m1/s1
• InChIKey: QXWWKRSSPAJLEI-HUUCEWRRSA-N
• XLogP: 3.47
• TPSA: 91.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide (CID 100850779) is (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide.

What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

The InChIKey is QXWWKRSSPAJLEI-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H29F3N6O2/c1-14(20(32)27-21(33)26-17-7-3-2-4-8-17)30-11-5-6-15(12-30)19-29-28-18-10-9-16(13-31(18)19)22(23,24)25/h9-10,13-15,17H,2-8,11-12H2,1H3,(H2,26,27,32,33)/t14-,15-/m1/s1.

What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide?

(2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 466.51 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(cyclohexylcarbamoyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 100850779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).